Information card for entry 7028326

Structure parameters

• Formula: C46 H47 D6 Ir2 N P2
• Calculated formula: C40 H46.1 Ir2 N P2
• Title of publication: P-H activation of secondary phosphanes on a parent amido diiridium complex.
• Authors of publication: Mena, Inmaculada; Casado, Miguel A.; Polo, Víctor; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1609 - 1619
• a: 21.7209 ± 0.001 Å
• b: 10.3274 ± 0.0005 Å
• c: 33.4874 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7511.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No